tert-butyl N-[3-oxidanylidene-5-(2-oxidanylidenebenzimidazol-4-yl)-1-phenyl-5-sulfanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-5-(2-oxidanylidenebenzimidazol-4-yl)-1-phenyl-5-sulfanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-oxo-4-(2-oxobenzimidazol-4-yl)-4-thioxo-butyl]carbamate CAS Name: N-[3-oxo-5-(2-oxo-4-benzimidazolyl)-1-phenyl-5-sulfanylidenepentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-5-(2-oxobenzimidazol-4-yl)-1-phenyl-5-sulfanylidenepentan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-4-(2-ketobenzimidazol-4-yl)-4-thioxo-butyl]carbamic acid tert-butyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)CC(=S)C2=CC=CC3=NC(=O)N=C32

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)CC(=S)C2=CC=CC3=NC(=O)N=C32

InChI

InChI=1S/C23H23N3O4S/c1-23(2,3)30-22(29)25-17(12-14-8-5-4-6-9-14)18(27)13-19(31)15-10-7-11-16-20(15)26-21(28)24-16/h4-11,17H,12-13H2,1-3H3,(H,25,29)